Information card for entry 1570285

Structure parameters

• Chemical name: aks-sn-4-265
• Formula: C61 H53 Cl2 N5 O2 P2 Ru
• Calculated formula: C61 H53 Cl2 N5 O2 P2 Ru
• Title of publication: Mechanistic insights and comparative analysis of Ru(ii)–NNC pincer complexes with anionic-, protic-, and classical-NHCs for transfer hydrogenation of ketones
• Authors of publication: Nath, Shambhu; Yadav, Ekta; Raghuvanshi, Abhinav; Singh, Amrendra K.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 7085 - 7099
• a: 13.5479 ± 0.0011 Å
• b: 22.1691 ± 0.001 Å
• c: 23.429 ± 0.002 Å
• α: 90°
• β: 131.809 ± 0.014°
• γ: 90°
• Cell volume: 5245 ± 1.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1479
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2217
• Weighted residual factors for all reflections included in the refinement: 0.2727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No